UCSF

ZINC69493507

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 Yes

Popular Name: (2S)-N-[(1,1-dioxo-2H-benzo[e][1,2,4]thiadiazin-3-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (2S)-N-[(1,1-dioxo-2H-benzo[e][1…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.38 3.55 -24.89 2 7 0 88 333.417 5 ↓
Hi High (pH 8-9.5) 1.38 3.15 -48.62 1 7 -1 90 332.409 5 ↓
Lo Low (pH 4.5-6) 1.38 4.73 -58.81 3 7 1 93 334.425 5 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.